2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile

C24H26N3O2+ — CID 7378052

IUPAC2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile
SMILESCCCCc1c(-c2ccccc2)[nH+]c(N)c(C#N)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N3O2/c1-4-5-11-18-22(17-12-13-20(28-2)21(14-17)29-3)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11H2,1-3H3,(H2,26,27)/p+1
InChIKeyGMNVFISXNQRCNA-UHFFFAOYSA-O
MW388.49 g/mol
LogP4.65
Rot. Bonds7

About 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile

2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile (PubChem CID 7378052) has the molecular formula C24H26N3O2+ and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile
PubChem CID7378052
Molecular FormulaC24H26N3O2+
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile
SMILESCCCCc1c(-c2ccccc2)[nH+]c(N)c(C#N)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N3O2/c1-4-5-11-18-22(17-12-13-20(28-2)21(14-17)29-3)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11H2,1-3H3,(H2,26,27)/p+1
InChIKeyGMNVFISXNQRCNA-UHFFFAOYSA-O
XLogP4.65
TPSA82.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridin-1-ium-3-carbonitrile
CID 7378390
3-(3,4-dimethoxyphenyl)-2-methyl-6-methylsulfanyl-4,5-diphenylbenzonitrile
CID 23628987
2-amino-4-(3,4-dimethoxyphenyl)-6-(3,4-dimethylphenyl)pyridin-1-ium-3-carbonitrile
CID 7378055
2-amino-3-(3-bromophenyl)-5-butyl-6-pentylpyridin-1-ium-4-carbonitrile
CID 2191621
2-amino-4-(3-bromophenyl)-5-ethyl-6-propylpyridin-1-ium-3-carbonitrile
CID 6925430
2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile
CID 7378054
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
2-(3,4-dimethoxyphenyl)-1,3-dimethoxy-5-pentylbenzene
CID 178159435
2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetamide
CID 7046390
2-amino-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile
CID 7386481
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile?
The IUPAC name of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile (CID 7378052) is 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile is CCCCc1c(-c2ccccc2)[nH+]c(N)c(C#N)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile?
The InChIKey is GMNVFISXNQRCNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O2/c1-4-5-11-18-22(17-12-13-20(28-2)21(14-17)29-3)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11H2,1-3H3,(H2,26,27)/p+1.
What are the key properties of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile?
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile has a molecular weight of 388.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 7378052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).